UCSF

ZINC26894490

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 10.62 -21.16 1 5 0 68 304.353 2
Hi High (pH 8-9.5) 3.49 10.84 -57.39 0 5 -1 66 303.345 2
Mid Mid (pH 6-8) 2.94 11.93 -27.74 1 5 0 63 304.353 1
Mid Mid (pH 6-8) 3.49 11.39 -45.31 3 5 1 67 305.361 2
Lo Low (pH 4.5-6) 3.49 9.84 -31.12 2 5 1 65 305.361 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )